3-(oxan-3-yloxy)quinoline

C14H15NO2 — CID 107388074

IUPAC3-(oxan-3-yloxy)quinoline
SMILESc1ccc2ncc(OC3CCCOC3)cc2c1
InChIInChI=1S/C14H15NO2/c1-2-6-14-11(4-1)8-13(9-15-14)17-12-5-3-7-16-10-12/h1-2,4,6,8-9,12H,3,5,7,10H2
InChIKeyUCHMIFRNAWRTNT-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.79
Rot. Bonds2

About 3-(oxan-3-yloxy)quinoline

3-(oxan-3-yloxy)quinoline (PubChem CID 107388074) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-(oxan-3-yloxy)quinoline.

Molecular Properties

Compound Name3-(oxan-3-yloxy)quinoline
PubChem CID107388074
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name3-(oxan-3-yloxy)quinoline
SMILESc1ccc2ncc(OC3CCCOC3)cc2c1
InChIInChI=1S/C14H15NO2/c1-2-6-14-11(4-1)8-13(9-15-14)17-12-5-3-7-16-10-12/h1-2,4,6,8-9,12H,3,5,7,10H2
InChIKeyUCHMIFRNAWRTNT-UHFFFAOYSA-N
XLogP2.79
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-3-yloxy)quinoline?
The IUPAC name of 3-(oxan-3-yloxy)quinoline (CID 107388074) is 3-(oxan-3-yloxy)quinoline.
What is the SMILES notation for 3-(oxan-3-yloxy)quinoline?
The canonical SMILES for 3-(oxan-3-yloxy)quinoline is c1ccc2ncc(OC3CCCOC3)cc2c1.
What is the InChIKey of 3-(oxan-3-yloxy)quinoline?
The InChIKey is UCHMIFRNAWRTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-2-6-14-11(4-1)8-13(9-15-14)17-12-5-3-7-16-10-12/h1-2,4,6,8-9,12H,3,5,7,10H2.
What are the key properties of 3-(oxan-3-yloxy)quinoline?
3-(oxan-3-yloxy)quinoline has a molecular weight of 229.28 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-3-yloxy)quinoline is sourced from PubChem (CID 107388074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).